| CAS Number | 80026-12-6 |
| Catalog Number | AG00ID36(AGN-PC-00MG7Q) |
| Chemical Name | 2,3-Dichloro-4-methylaniline |
| IUPAC Name | 2,3-dichloro-4-methylaniline |
| InChI | InChI=1S/C7H7Cl2N/c1-4-2-3-5(10)7(9)6(4)8/h2-3H,10H2,1H3 |
| InChI Key | YAPLMJQCTRFXQZ-UHFFFAOYSA-N |
| MDL Number | MFCD20690792 |
| Molecular Formula | C7H7Cl2N |
| Molecular Weight | 176.0432 |
| SMILES | CC1=C(Cl)C(Cl)=C(N)C=C1 |
| Synonyms | 2,3-dichloro-4-methylaniline,
80026-12-6,
2,3-dichloro-4-methyl-aniline,
SCHEMBL3884369,
YAPLMJQCTRFXQZ-UHFFFAOYSA-N,
MFCD20690792,
ZINC39643367,
AKOS022639269,
Benzenamine, 2,3-dichloro-4-methyl-,
MCULE-1111559762,
AS-43880,
AJ-100489,
Z1664348592,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.04g/mol |
| Monoisotopic Mass | 174.996g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number